N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide

C14H20FN3O — CID 104786244

IUPACN-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(F)c1)C1CCC(N)CC1
InChIInChI=1S/C14H20FN3O/c1-2-18(13-5-3-12(16)4-6-13)14(19)10-7-11(15)9-17-8-10/h7-9,12-13H,2-6,16H2,1H3
InChIKeyZKFHDZIKGLSMJC-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.95
Rot. Bonds3

About N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide

N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide (PubChem CID 104786244) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide
PubChem CID104786244
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide
SMILESCCN(C(=O)c1cncc(F)c1)C1CCC(N)CC1
InChIInChI=1S/C14H20FN3O/c1-2-18(13-5-3-12(16)4-6-13)14(19)10-7-11(15)9-17-8-10/h7-9,12-13H,2-6,16H2,1H3
InChIKeyZKFHDZIKGLSMJC-UHFFFAOYSA-N
XLogP1.95
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[cyclopropyl-(5-fluoropyridine-3-carbonyl)amino]acetate
CID 115694608
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-2-carboxamide
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N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
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N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-5-fluoropyridine-3-carboxamide
CID 104785864
N-(4-aminocyclohexyl)-N-ethylbenzamide
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N-(4-aminocyclohexyl)-N-ethyl-5-methylpyrazine-2-carboxamide
CID 79115750
N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 128964575
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-sulfonamide
CID 79115776
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 66181905
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
6-amino-5-chloro-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155621

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide (CID 104786244) is N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide is CCN(C(=O)c1cncc(F)c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide?
The InChIKey is ZKFHDZIKGLSMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-2-18(13-5-3-12(16)4-6-13)14(19)10-7-11(15)9-17-8-10/h7-9,12-13H,2-6,16H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide?
N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 104786244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).